Geometry & MOs

Info

ID:	217965
PubChem CID:	85088664
Reduced:	F2N2O5H18C21 (1)
Stoich.:	A2B2C5D18E21 (1)
Weight, g/mol:	416.190714
ΔH_f, kcal/mol:	-249.47
Dipole, Da:	5.91
IP(EA), eV:	-9.35(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-carbamoyloxirane-2-carbonyl)amino]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]propanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)(C1=C(C(=O)N2CC3=C(C2=C1)N=C4C=C(C(=CC4=C3)F)F)CO)O

DOS

IR

Vibrations